Structure Database (LMSD)

HO O O
Common Name
Ovaliflavanone A
Systematic Name
Synonyms
LM ID
LMPK12140011
Formula
C25H28O3
Exact Mass
Calculate m/z
376.203845
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

Category
Main Class
Sub Class
Polyketides [PK]
Flavonoids [PK12]
Flavanones [PK1214]

String Representations

InChiKey (Click to copy)
QRCTUFJCBXMBPP-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C25H28O3/c1-16(2)10-12-19-14-21-22(26)15-23(18-8-6-5-7-9-18)28-25(21)20(24(19)27)13-11-17(3)4/h5-11,14,23,27H,12-13,15H2,1-4H3
SMILES (Click to copy)
C1(O)=C(C/C=C(\C)/C)C2OC(C3C=CC=CC=3)CC(=O)C=2C=C1C/C=C(\C)/C

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Viridiplantae (#33090)
Flavonoid imported from http://metabolomics.jp/

Other Databases

CHEBI ID
166613
METABOLOMICS ID
FL2F19NI0002
PubChem CID
11111594

Calculated Physicochemical Properties

Heavy Atoms 28
Rings 3
Aromatic Rings 2
Rotatable Bonds 5
Van der Waals Molecular Volume 384.79
Topological Polar Surface Area 48.60
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 3
logP 6.12
Molar Refractivity 113.14

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Updated at
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